Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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12,13-dimethoxy-5,9-dithia-3- azatricyclo[8.4.0.0(3),⁷]tetradeca-1(14),10,12- triene-2,8-dione (Compound 8) PubChem CID 395787
COc1cc2c(cc1OC)C(=O)N1CSCC1C(=O)S2 -
BENZALKONIUM CHLORIDE, ASPIRIN, IBUPROFEN, ISOPROPYL ALCOHOL, BENZOCAINE, SD ALCOHOL, BACITRACIN ZINC, NEOMYCIN SULFATE, POLYMYXIN B SULFATE, ACETAMINOPHEN, DIPHENHYDRAMINE CHLORIDE CAS 1641-93-6 PubChem CID 3014024
CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] -
NCc1ncccc1C(F)(F)F -
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one CAS 28608-75-5 PubChem CID 5382105
O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12 -
Sorbitan sesquioleate. (Compound usually contains also associated fatty acids.) CAS 8007-43-0 PubChem CID 6433515
CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO -
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 -
CC(C)(C#N)c1cc(CBr)cc(C(C)(C)C#N)c1 -
L-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-Methylphenyl)sulfonyl]oxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)- CAS 149809-42-7 PubChem CID 11762142
Cc1ccc(S(=O)(=O)OC[C@H]2CO[C@](Cn3cncn3)(c3ccc(F)cc3F)C2)cc1 -
1H-Cyclopenta[c]pyridin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-, [4aS-(4aalpha,7alpha,7aalpha)]- CAS 115421-73-3 PubChem CID 14133658
CC1=CNC(=O)[C@H]2[C@@H]1CC[C@@H]2C -
D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)- CAS 166583-12-6 PubChem CID 15238246
Cc1ccc(S(=O)(=O)OC[C@@H]2CO[C@](Cn3cncn3)(c3ccc(F)cc3F)C2)cc1 -
Methyl 5-((8-(4- fluorophenyl)- 3,4-dioxo- 3,4,7,8- tetrahydroimidazo [2,1-c] [1,2,4]triazin- 2(6H)- yl)methyl)furan- 2-carboxylate CAS 941888-06-8 PubChem CID 16898163
COC(=O)c1ccc(Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)o1 -
(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl (2E)-3-phenylprop-2-enoate CAS 222159-05-9 PubChem CID 23757182
C[C@@H]1O[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)[C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1O -
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-7-yl)(piperazin-1-yl)methanone CAS 607373-29-5 PubChem CID 25023717
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21 -
1-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic Acid; 1-(4-[1-[(E)-4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino]-ethyl]-2-ethyl-benzyl)-azetidine-3-carboxylic Acid; BAF 312; CAS 1230487-00-9 PubChem CID 44599207
CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 -
5,7-dihydroxy-2-phenyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one CAS 185145-34-0 PubChem CID 44715843
O=c1cc(-c2ccccc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 -
(S)-methyl 2-(2-chlorophenyl)-2-(4,5-dihydrothieno[2,3-c]pyridin-6(7H)-yl)acetate sulfate? (Clopidogrel Impurity pound(c) CAS 120202-71-3 PubChem CID 49849332
COC(=O)[C@H](c1ccccc1Cl)N1CCc2ccsc2C1.O=S(=O)(O)O -
methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate CAS 1258226-87-7 PubChem CID 54767916
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C -
(2R,4S)-2-((E)-2-(5,7-Dimethoxy-2-oxo-2H-chromen-8-yl)vinyl)-2,6-dimethyl-4-(2-methylprop-1-en-1-yl)-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one CAS 139750-79-1 PubChem CID 86302487
COc1cc(OC)c2ccc(=O)oc2c1/C=C/[C@@]1(C)C[C@@H](C=C(C)C)c2c(c3ccccc3n(C)c2=O)O1 -
(2R,3R,4R,5S,6R)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol? (Empagliflozin Impurity pound(c) CAS 1620758-33-9 PubChem CID 91827936
OC[C@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O -
(3R,5R)-7-[3-(PHENYLCARBAMOYL)-4,5-BIS(4-FLUOROPHENYL)-2-ISOPROPYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID SODIUM SALT CAS 1807481-00-0 PubChem CID 102126660
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]